5-azanyl-6-chloranyl-8-[[1-(2-methylbutyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-(2-methylbutyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[[1-(2-methylbutyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[[1-(2-methylbutyl)-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[[1-(2-methylbutyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[[1-(2-methylbutyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C20H29ClN2O4 MolecularWeight: 396.90826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CCC(C)CN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C20H29ClN2O4/c1-3-12(2)10-23-6-4-13(5-7-23)8-14-9-15(21)17(22)19-18(14)26-11-16(27-19)20(24)25/h9,12-13,16H,3-8,10-11,22H2,1-2H3,(H,24,25)